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Re: [ccp4bb] Error with scala after combat |
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CCP4bb navigationCCP4bb <-- 2007 <-- April 2007 <-- 27 April 2007Subject: Re: Error with scala after combat From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK Date: 2007-04-27 ftp://ftp.mrc-lmb.cam.ac.uk/scala_3.2.29.tar.gz Phil On 27 Apr 2007, at 10:10, Clemens Vonrhein wrote: > Hi Phil, > > these diffs I made to 3.2.27 - seem to fix some other things too. > > Cheers > > Clemens > > On Fri, Apr 27, 2007 at 09:50:16AM +0100, Phil Evans wrote: >> I believe this is a combination of errors in COMBAT (not setting cell >> constraint flags correctly) and SCALA (not detecting properly that >> they are unset) >> >> I believe that I have fixed the Scala error in my latest version >> >> ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/scala_3.2.28.tar.gz >> >> (I hope!) >> >> There needs to be a better way of getting XDS data into Scala, and I >> do intend to do this at some point (but not this week) >> >> sorry about this >> Phil >> >> >> On 27 Apr 2007, at 09:33, Stein, ND (Norman) wrote: >> >>> Hi Paola >>> >>> This looks like a bug in Scala to me. The error message should only >>> be printed out if the Relative Length Error exceeds 0.03 or the >>> Angle error exceeds 0.5, whereas in your case both errors are zero. >>> The relevant lines of code are a new addition in 6.0.2, which >>> explains why you didn't have the problem with 6.0.1. >>> >>> If you can send me your Scala input files and details of the >>> commands you used to run Scala (e.g command line script or com file >>> from ccp4i), I will look into it further. >>> >>> Norman >>> >>> Norman Stein >>> CCP4 >>> Daresbury Laboratory >>> >>> >>> -----Original Message----- >>> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK]On Behalf Of >>> Paola Llinas >>> Sent: 26 April 2007 15:28 >>> To: CCP4BB@JISCMAIL.AC.UK >>> Subject: [ccp4bb] Error with scala after combat >>> >>> >>> Hi everybody, >>> >>> I process data with XDS, then I use Combat to import XDS ASCII data >>> from >>> CORRECT in order to scale whit Scala but it doesn't work. The >>> message error >>> is: >>> >>> * Wavelength and cell extracted from Batch headers, with rms >>> variation: >>> * Wavelength: 1.008000 Cell: 91.710 93.670 103.360 >>> 90.000 >>> 90.000 90.000 >>> * rms 0.000000 rms 0.000 0.000 0.000 >>> 0.000 >>> 0.000 0.000 >>> >>> ****ERROR: cell deviates too much from constraint **** >>> Relative length error 0.000 Angle error 0.00 >>> >>>>>> Cell constraints: >>> >>> Scala: *** Error in batch cell dimensions *** >>> >>> I changed ccp4 version from 6.0.1 to 6.0.2 this week and I has this >>> problem >>> only with 6.0.2 version. (I verified with files that worked with >>> the older >>> version and I have the same error). >>> Does somebody know how can I fix this problem? >>> >>> Thanks, >>> Paola >> > > -- > > *************************************************************** > * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com > * > * Global Phasing Ltd. > * Sheraton House, Castle Park > * Cambridge CB3 0AX, UK > *-------------------------------------------------------------- > * BUSTER Development Group (http://www.globalphasing.com) > *************************************************************** > CCP4bb navigationCCP4bb <-- 2007 <-- April 2007 <-- 27 April 2007 |
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